6,7-dimethoxy-N-(2,2,2-trifluoro-1-phenylethyl)quinazolin-4-amine

C18H16F3N3O2 — CID 18788999

IUPAC6,7-dimethoxy-N-(2,2,2-trifluoro-1-phenylethyl)quinazolin-4-amine
SMILESCOc1cc2ncnc(NC(c3ccccc3)C(F)(F)F)c2cc1OC
InChIInChI=1S/C18H16F3N3O2/c1-25-14-8-12-13(9-15(14)26-2)22-10-23-17(12)24-16(18(19,20)21)11-6-4-3-5-7-11/h3-10,16H,1-2H3,(H,22,23,24)
InChIKeyRCLHOYXIFSFIQJ-UHFFFAOYSA-N
MW363.34 g/mol
LogP4.36
Rot. Bonds5

About 6,7-dimethoxy-N-(2,2,2-trifluoro-1-phenylethyl)quinazolin-4-amine

6,7-dimethoxy-N-(2,2,2-trifluoro-1-phenylethyl)quinazolin-4-amine (PubChem CID 18788999) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(2,2,2-trifluoro-1-phenylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-(2,2,2-trifluoro-1-phenylethyl)quinazolin-4-amine
PubChem CID18788999
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name6,7-dimethoxy-N-(2,2,2-trifluoro-1-phenylethyl)quinazolin-4-amine
SMILESCOc1cc2ncnc(NC(c3ccccc3)C(F)(F)F)c2cc1OC
InChIInChI=1S/C18H16F3N3O2/c1-25-14-8-12-13(9-15(14)26-2)22-10-23-17(12)24-16(18(19,20)21)11-6-4-3-5-7-11/h3-10,16H,1-2H3,(H,22,23,24)
InChIKeyRCLHOYXIFSFIQJ-UHFFFAOYSA-N
XLogP4.36
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine
CID 22269913
6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 69232909
7-methoxy-N-(1-phenylethyl)-6-piperidin-4-yloxyquinazolin-4-amine
CID 69197419
6-(azetidin-3-yloxy)-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 141221554
4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxycyclohexan-1-one
CID 67348087
4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexan-1-one
CID 58157263
6,7-dimethoxy-N-[4-[(R)-phenyl(propylamino)methyl]phenyl]quinazolin-4-amine
CID 122628612
(2S)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]propanoate
CID 7174370
6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride
CID 44523346
2-[(6,7-dimethoxyquinazolin-4-yl)amino]butanedioic acid
CID 21002993
N'-[[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethyl]-N-propylmethanediamine
CID 145172257
6,7-dimethoxy-N-(2-methyl-4-propan-2-ylphenyl)quinazolin-4-amine;ethane
CID 170967439

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(2,2,2-trifluoro-1-phenylethyl)quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-(2,2,2-trifluoro-1-phenylethyl)quinazolin-4-amine (CID 18788999) is 6,7-dimethoxy-N-(2,2,2-trifluoro-1-phenylethyl)quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-(2,2,2-trifluoro-1-phenylethyl)quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-(2,2,2-trifluoro-1-phenylethyl)quinazolin-4-amine is COc1cc2ncnc(NC(c3ccccc3)C(F)(F)F)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-(2,2,2-trifluoro-1-phenylethyl)quinazolin-4-amine?
The InChIKey is RCLHOYXIFSFIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-25-14-8-12-13(9-15(14)26-2)22-10-23-17(12)24-16(18(19,20)21)11-6-4-3-5-7-11/h3-10,16H,1-2H3,(H,22,23,24).
What are the key properties of 6,7-dimethoxy-N-(2,2,2-trifluoro-1-phenylethyl)quinazolin-4-amine?
6,7-dimethoxy-N-(2,2,2-trifluoro-1-phenylethyl)quinazolin-4-amine has a molecular weight of 363.34 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(2,2,2-trifluoro-1-phenylethyl)quinazolin-4-amine is sourced from PubChem (CID 18788999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).